UCSF

ZINC53656073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 8.13 -96.07 3 2 2 21 212.381 5
Mid Mid (pH 6-8) 2.44 5.9 -35.62 2 2 1 20 211.373 5

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Analogs ( Draw Identity 99% 90% 80% 70% )